2-[3-(2-cyclopropylethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

C14H17N3O2S — CID 79301245

IUPAC2-[3-(2-cyclopropylethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCc1cnc2c(c1)nc(SCC(=O)O)n2CCC1CC1
InChIInChI=1S/C14H17N3O2S/c1-9-6-11-13(15-7-9)17(5-4-10-2-3-10)14(16-11)20-8-12(18)19/h6-7,10H,2-5,8H2,1H3,(H,18,19)
InChIKeyZHDHBHNLXASJDJ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.72
Rot. Bonds6

About 2-[3-(2-cyclopropylethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

2-[3-(2-cyclopropylethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (PubChem CID 79301245) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[3-(2-cyclopropylethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[3-(2-cyclopropylethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
PubChem CID79301245
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[3-(2-cyclopropylethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCc1cnc2c(c1)nc(SCC(=O)O)n2CCC1CC1
InChIInChI=1S/C14H17N3O2S/c1-9-6-11-13(15-7-9)17(5-4-10-2-3-10)14(16-11)20-8-12(18)19/h6-7,10H,2-5,8H2,1H3,(H,18,19)
InChIKeyZHDHBHNLXASJDJ-UHFFFAOYSA-N
XLogP2.72
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-cyclopropylethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[3-(2-cyclopropylethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (CID 79301245) is 2-[3-(2-cyclopropylethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[3-(2-cyclopropylethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[3-(2-cyclopropylethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is Cc1cnc2c(c1)nc(SCC(=O)O)n2CCC1CC1.
What is the InChIKey of 2-[3-(2-cyclopropylethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is ZHDHBHNLXASJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-6-11-13(15-7-9)17(5-4-10-2-3-10)14(16-11)20-8-12(18)19/h6-7,10H,2-5,8H2,1H3,(H,18,19).
What are the key properties of 2-[3-(2-cyclopropylethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
2-[3-(2-cyclopropylethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 291.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-cyclopropylethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 79301245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).